+データを開く
-基本情報
登録情報 | データベース: PDB / ID: 2zaz | ||||||
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タイトル | Crystal structure of P38 in complex with 4-anilino quinoline inhibitor | ||||||
要素 | Mitogen-activated protein kinase 14MAPK14 | ||||||
キーワード | TRANSFERASE (転移酵素) / Serine/threonine protein kinase / map kinase (分裂促進因子活性化タンパク質キナーゼ) / P38 / ATP-binding / Nucleotide-binding / Nucleus (Nucleus) / Phosphorylation (リン酸化) | ||||||
機能・相同性 | 機能・相同性情報 positive regulation of cyclase activity / Activation of PPARGC1A (PGC-1alpha) by phosphorylation / CD163 mediating an anti-inflammatory response / regulation of synaptic membrane adhesion / stress-induced premature senescence / cell surface receptor protein serine/threonine kinase signaling pathway / 3'-UTR-mediated mRNA stabilization / KSRP (KHSRP) binds and destabilizes mRNA / DSCAM interactions / cartilage condensation ...positive regulation of cyclase activity / Activation of PPARGC1A (PGC-1alpha) by phosphorylation / CD163 mediating an anti-inflammatory response / regulation of synaptic membrane adhesion / stress-induced premature senescence / cell surface receptor protein serine/threonine kinase signaling pathway / 3'-UTR-mediated mRNA stabilization / KSRP (KHSRP) binds and destabilizes mRNA / DSCAM interactions / cartilage condensation / cellular response to UV-B / Platelet sensitization by LDL / stress-activated protein kinase signaling cascade / mitogen-activated protein kinase p38 binding / positive regulation of myoblast fusion / positive regulation of muscle cell differentiation / negative regulation of hippo signaling / positive regulation of myotube differentiation / NFAT protein binding / Myogenesis / glucose import / Activation of the AP-1 family of transcription factors / ERK/MAPK targets / regulation of cytokine production involved in inflammatory response / p38MAPK cascade / Β酸化 / cellular response to lipoteichoic acid / MAP kinase kinase activity / response to dietary excess / response to muramyl dipeptide / RHO GTPases Activate NADPH Oxidases / regulation of ossification / MAP kinase activity / 分裂促進因子活性化タンパク質キナーゼ / cellular response to vascular endothelial growth factor stimulus / positive regulation of myoblast differentiation / chondrocyte differentiation / vascular endothelial growth factor receptor signaling pathway / stress-activated MAPK cascade / signal transduction in response to DNA damage / skeletal muscle tissue development / lipopolysaccharide-mediated signaling pathway / positive regulation of cardiac muscle cell proliferation / negative regulation of inflammatory response to antigenic stimulus / p38MAPK events / striated muscle cell differentiation / response to muscle stretch / positive regulation of brown fat cell differentiation / positive regulation of interleukin-12 production / osteoclast differentiation / positive regulation of erythrocyte differentiation / placenta development / DNA damage checkpoint signaling / activated TAK1 mediates p38 MAPK activation / cellular response to ionizing radiation / 細胞分化 / positive regulation of glucose import / response to insulin / NOD1/2 Signaling Pathway / 骨 / cell morphogenesis / negative regulation of canonical Wnt signaling pathway / 凝固・線溶系 / cellular response to virus / osteoblast differentiation / VEGFA-VEGFR2 Pathway / 紡錘体 / positive regulation of protein import into nucleus / ADP signalling through P2Y purinoceptor 1 / glucose metabolic process / positive regulation of reactive oxygen species metabolic process / 走化性 / 細胞老化 / cellular response to tumor necrosis factor / peptidyl-serine phosphorylation / protein phosphatase binding / 血管新生 / secretory granule lumen / Oxidative Stress Induced Senescence / cellular response to lipopolysaccharide / Regulation of TP53 Activity through Phosphorylation / ficolin-1-rich granule lumen / transcription by RNA polymerase II / cell surface receptor signaling pathway / intracellular signal transduction / nuclear speck / protein serine kinase activity / protein serine/threonine kinase activity / glutamatergic synapse / apoptotic process / Neutrophil degranulation / positive regulation of gene expression / regulation of transcription by RNA polymerase II / enzyme binding / シグナル伝達 / positive regulation of transcription by RNA polymerase II / ミトコンドリア / extracellular region / 核質 / ATP binding 類似検索 - 分子機能 | ||||||
生物種 | Homo sapiens (ヒト) | ||||||
手法 | X線回折 / 解像度: 1.8 Å | ||||||
データ登録者 | Somers, D.O. | ||||||
引用 | ジャーナル: Bioorg.Med.Chem.Lett. / 年: 2008 タイトル: Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode 著者: Angell, R.M. / Bamborough, P. / Cleasby, A. / Cockerill, S.G. / Jones, K.L. / Mooney, C.J. / Somers, D.O. / Walker, A.L. | ||||||
履歴 |
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-構造の表示
構造ビューア | 分子: MolmilJmol/JSmol |
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-ダウンロードとリンク
-ダウンロード
PDBx/mmCIF形式 | 2zaz.cif.gz | 90.9 KB | 表示 | PDBx/mmCIF形式 |
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PDB形式 | pdb2zaz.ent.gz | 69.2 KB | 表示 | PDB形式 |
PDBx/mmJSON形式 | 2zaz.json.gz | ツリー表示 | PDBx/mmJSON形式 | |
その他 | その他のダウンロード |
-検証レポート
アーカイブディレクトリ | https://data.pdbj.org/pub/pdb/validation_reports/za/2zaz ftp://data.pdbj.org/pub/pdb/validation_reports/za/2zaz | HTTPS FTP |
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-関連構造データ
-リンク
-集合体
登録構造単位 |
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1 |
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単位格子 |
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-要素
#1: タンパク質 | 分子量: 41343.195 Da / 分子数: 1 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / プラスミド: PRSETA / 発現宿主: Escherichia coli (大腸菌) / 株 (発現宿主): BRL 参照: UniProt: Q16539, 分裂促進因子活性化タンパク質キナーゼ |
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#2: 化合物 | ChemComp-ACT / |
#3: 化合物 | ChemComp-GK1 / |
#4: 化合物 | ChemComp-GOL / |
#5: 水 | ChemComp-HOH / |
-実験情報
-実験
実験 | 手法: X線回折 / 使用した結晶の数: 1 |
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-試料調製
結晶 | マシュー密度: 2.97 Å3/Da / 溶媒含有率: 58.55 % |
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結晶化 | 温度: 293 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 6.5 詳細: pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-データ収集
回折 | 平均測定温度: 100 K |
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放射光源 | 由来: 回転陽極 / タイプ: RIGAKU RUH2R / 波長: 1.5418 Å |
検出器 | タイプ: RIGAKU RAXIS IV++ / 検出器: IMAGE PLATE / 日付: 2006年10月17日 / 詳細: XENOCS FOX2D mirrors |
放射 | モノクロメーター: Ni FILTER / プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray |
放射波長 | 波長: 1.5418 Å / 相対比: 1 |
反射 | 解像度: 1.8→62.75 Å / Num. obs: 45875 / % possible obs: 98.7 % / 冗長度: 6.7 % / Biso Wilson estimate: 22.605 Å2 / Rmerge(I) obs: 0.082 / Χ2: 1.01 / Net I/σ(I): 11.9 / Scaling rejects: 2325 |
反射 シェル | 解像度: 1.8→1.86 Å / 冗長度: 5.08 % / Rmerge(I) obs: 0.419 / Mean I/σ(I) obs: 3.8 / Num. measured all: 20645 / Num. unique all: 4060 / Χ2: 1.15 / % possible all: 89 |
-解析
ソフトウェア |
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精密化 | 解像度: 1.8→20 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.943 / SU B: 6.112 / SU ML: 0.095 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.116 / ESU R Free: 0.116 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD
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溶媒の処理 | イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | Biso mean: 37.4 Å2
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精密化ステップ | サイクル: LAST / 解像度: 1.8→20 Å
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拘束条件 |
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LS精密化 シェル | 解像度: 1.8→1.846 Å / Total num. of bins used: 20
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精密化 TLS | 手法: refined / Refine-ID: X-RAY DIFFRACTION
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精密化 TLSグループ |
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